5-chloro-N-cyclopropyl-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide

C13H19ClN2O2S — CID 82884636

IUPAC5-chloro-N-cyclopropyl-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cc(Cl)cc(S(=O)(=O)N(C)C2CC2)c1C
InChIInChI=1S/C13H19ClN2O2S/c1-9-10(8-15-2)6-11(14)7-13(9)19(17,18)16(3)12-4-5-12/h6-7,12,15H,4-5,8H2,1-3H3
InChIKeyKQLMEMRBIFWCAB-UHFFFAOYSA-N
MW302.83 g/mol
LogP2.15
Rot. Bonds5

About 5-chloro-N-cyclopropyl-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide

5-chloro-N-cyclopropyl-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide (PubChem CID 82884636) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 5-chloro-N-cyclopropyl-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-cyclopropyl-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide
PubChem CID82884636
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name5-chloro-N-cyclopropyl-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cc(Cl)cc(S(=O)(=O)N(C)C2CC2)c1C
InChIInChI=1S/C13H19ClN2O2S/c1-9-10(8-15-2)6-11(14)7-13(9)19(17,18)16(3)12-4-5-12/h6-7,12,15H,4-5,8H2,1-3H3
InChIKeyKQLMEMRBIFWCAB-UHFFFAOYSA-N
XLogP2.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopropyl-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of 5-chloro-N-cyclopropyl-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide (CID 82884636) is 5-chloro-N-cyclopropyl-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-N-cyclopropyl-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-N-cyclopropyl-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide is CNCc1cc(Cl)cc(S(=O)(=O)N(C)C2CC2)c1C.
What is the InChIKey of 5-chloro-N-cyclopropyl-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide?
The InChIKey is KQLMEMRBIFWCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-9-10(8-15-2)6-11(14)7-13(9)19(17,18)16(3)12-4-5-12/h6-7,12,15H,4-5,8H2,1-3H3.
What are the key properties of 5-chloro-N-cyclopropyl-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide?
5-chloro-N-cyclopropyl-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide has a molecular weight of 302.83 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopropyl-N,2-dimethyl-3-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 82884636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).